IUPAC Name :3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid
InChI :InChI=1/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30)
Std.InChI: InChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30)
InChIKey :SDSXQESYQIRNNR-UHFFFAOYAT
Std.InChIKey: SDSXQESYQIRNNR-UHFFFAOYSA-N
SMILES :C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C(=O)O)O)O)O)O
Molar Refractivity :102.01 ± 0.3 cm3 (est)
Parachor :780.0 ± 6.0 cm3 (est)
Index of Refraction :1.816 ± 0.02
(est)
Surface Tension :121.2 ± 3.0 dyne/cm (est)
Density :1.822 ± 0.06 g/cm3 (est)
Polarizability :40.44 ± 0.5 10-24cm3 (est)